4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane

C23H44O2 — CID 71327490

IUPAC4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane
SMILESC=CC1(C)OC(C)(C)OC1CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C23H44O2/c1-9-23(8)21(24-22(6,7)25-23)17-16-20(5)15-11-14-19(4)13-10-12-18(2)3/h9,18-21H,1,10-17H2,2-8H3
InChIKeyWFNJLEFEDJFRCY-UHFFFAOYSA-N
MW352.60 g/mol
LogP7.13
Rot. Bonds12

About 4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane

4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane (PubChem CID 71327490) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane
PubChem CID71327490
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane
SMILESC=CC1(C)OC(C)(C)OC1CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C23H44O2/c1-9-23(8)21(24-22(6,7)25-23)17-16-20(5)15-11-14-19(4)13-10-12-18(2)3/h9,18-21H,1,10-17H2,2-8H3
InChIKeyWFNJLEFEDJFRCY-UHFFFAOYSA-N
XLogP7.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane (CID 71327490) is 4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane is C=CC1(C)OC(C)(C)OC1CCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane?
The InChIKey is WFNJLEFEDJFRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1-9-23(8)21(24-22(6,7)25-23)17-16-20(5)15-11-14-19(4)13-10-12-18(2)3/h9,18-21H,1,10-17H2,2-8H3.
What are the key properties of 4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane?
4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane has a molecular weight of 352.60 g/mol, XLogP of 7.13, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane is sourced from PubChem (CID 71327490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).